4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid

C14H14N2O3 — CID 3162138

IUPAC4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1cccnc1
InChIInChI=1S/C14H14N2O3/c1-19-13-5-4-11(14(17)18)7-12(13)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyROOPRDHQLJWLMT-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.40
Rot. Bonds5

About 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid

4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid (PubChem CID 3162138) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid
PubChem CID3162138
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1cccnc1
InChIInChI=1S/C14H14N2O3/c1-19-13-5-4-11(14(17)18)7-12(13)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyROOPRDHQLJWLMT-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
N'-{[(4-methoxyphenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9593459
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
3-[(4-Methoxybenzyl)amino]pyridine-4-carboxylic acid
CID 59699608
3-Pyridinyl 4-methoxybenzoate
CID 1120962
2-(Dimethylamino)ethyl 4-methoxy-3-[[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]carbamoylamino]benzoate
CID 122195142
Pyridin-3-yl 4-ethoxybenzoate
CID 168284632
6-Methylpyridin-3-yl 4-butoxybenzoate
CID 3245584
Pyridin-3-yl 4-butoxybenzoate
CID 4621376
3-[(5-Acetyl-2-ethoxyphenyl)carbamoyl]-5-pyridin-4-ylbenzoic acid
CID 118633154
N'-[(4-methoxy-3-nitrobenzoyl)oxy]-2-pyridinecarboximidamide
CID 9587402
4-hydroxy-benzoic acid, compd. with (2S,4E)-N-methyl-5-[5-(1-methylethoxy)-3-pyridinyl]-4-penten-2-amine (1:1)
CID 11552485

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid (CID 3162138) is 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid is COc1ccc(C(=O)O)cc1NCc1cccnc1.
What is the InChIKey of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
The InChIKey is ROOPRDHQLJWLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-13-5-4-11(14(17)18)7-12(13)16-9-10-3-2-6-15-8-10/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid?
4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(pyridin-3-ylmethylamino)benzoic acid is sourced from PubChem (CID 3162138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).